Surface crystal-orientation-dependent second-order nonlinear optical properties of cubic boron arsenide (c-BAs) by Lipeng Zhu, Yachao Ma, Chuyi Zhou, Tanwen Lai, Aochi Jia, Yipeng Zheng, Kaili Ren, Dongdong Han, Jun Dong, Ze Xue, Yani Ren, Qiyi Zhao, Chuan He, Jiming Zheng

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High-pressure structural and electrical properties of pyrochlore: Enhanced octahedral distortions and electrical resistance of La2Sn2O7 by Shufan Jia, H. Saqib, Daniel Errandonea, Yuxin Hu, Bin Zeng, Xiangyu Chen, Alfonso Munoz, Silvana Radescu, Andres Mujica, Yongsheng Zhao, S. Rahman, Ning Dai

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Promoted Formation of Photoactive α-Formamidinium Cesium Lead Triiodide Perovskite Crystals by Germanium Addition by Ayu Enomoto, Atsushi Suzuki, Takeo Oku, Haruto Shimada

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The prediction of X2B6 monolayers with ultrahigh carrier mobility by Xiuzhi Du, Zhaoming Huang

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Investigating the Influence of Single Fe and Two Fe co-doping on the Structural and Magnetic Properties of Monolayer Pt2Te4 Pentagonal: A First Principle Study by Mojtaba Gholami

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Thermodynamic assessment of the Pb-Sr system by Zhang H., Zhang C., Wang W.W., Du Y., Zhou P., Hu B., Liu Z., Wang J.C., Wang J.

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Accelerating spin Hall conductivity predictions via machine learning by Jinbin Zhao, Junwen Lai, Jiantao Wang, Yi‐Chi Zhang, Junlin Li, Xing‐Qiu Chen, Peitao Liu

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Two-Dimensional Ferroelectric Materials: From Prediction to Applications by Shujuan Jiang, Yongwei Wang, Guangping Zheng

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First-principles study of the matrix alloying effect of X (X = Cr, Mo, W, V, Ti, Si) on the bonding characteristics and mechanical properties of the NbC/Fe interface by Yutong Yu, Lisheng Zhong, Enci Han, Ke Shi, Kaiyuan Hu, Chengwen Zhang, Yunhua Xu, Jianhong Peng, Xu Hu

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A deep dive into cation-modified structural, mechanical, magneto‑electronic, and thermophysical properties of MAlO3 (M = Ca, Sr, Ba, and Ra): First-principles investigation by Asif Hosen, Md. Rafiqul Islam, Ahmad A. Mousa, Mohammed S. Abu-Jafar

“…This article presents a first-principles investigation of structural, mechanical, thermophysical, and magneto-electronic properties of MAlO3 (M = Ca, Sr, Ba, and Ra) perovskites, which have not yet been synthesized experimentally. …”
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Effect of alloying elements on the stacking fault energies of dilute al-based alloys by Gao Q., Zhang H., Yang R., Fan Z., Liu Y., Wang J., Geng X., Gao Y., Shang S., Du Y., Liu Z.

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A comprehensive study on the electronic, optical, and light harvesting examination of mixed cation 2-Br-PEAI/FAPbI3 perovskite solar cells through first principles calculations and numerical simulations by Mohammed Benali Kanoun, Adil Alshoaibi, Mousaab Belarbi, Souraya Goumri-Said

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Theoretical study of Ti and Cr as candidate assisted metals for mechanical exfoliation of monolayer transition metal dichalcogenides by Guoliang Liu

Subjects: “…First-principles calculations…”
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Tuning Electronic Structure and Optical Properties of Monolayered h-BN by Doping C, Cu and Al by Qun Li, Tengchao Gao, Kuo Zhang, Xiangming Che, Guolong Ni

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Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems by Cao Z., Xin J., Chen C., Liu S., Hu B., Tang C., Du Y.

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Effect of alloying elements on stacking fault energy and softening/hardening of zirconium by L.C. Liu, J.T. Zheng, Z.P. Wu, Z.Y. Xu, S.F. Zhou

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The Effect of Gradient Cooling Behavior on the Microstructure and Mechanical Properties of Al-2at.% Nd Alloy in a Vacuum Environment by Xiangjie Wang, Xinyu Zhang, Wenjie Wu, Shuchen Sun

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Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

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Giant phonon anomaly in topological nodal-line semimetals by Zizhen Zhou, Xiaolong Yang, Honghui Wang, Guang Han, Xu Lu, Guoyu Wang, Rui Wang, Xiaoyuan Zhou

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İLK İLKELERİN KAYNAĞI NEDİR? İKİNCİ ANALİTİKLER 2. 19 ÇEVİRİSİNDE BİR İNCELEME by Hakan, Hasan Çoşar, Akkanat

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